CID 416908

Nsc83393

Structural Information

Molecular Formula

C₁₅H₁₉NO₂

SMILES

C1CN2CCC1C(C2)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H19NO2/c17-15(10-12-4-2-1-3-5-12)18-14-11-16-8-6-13(14)7-9-16/h1-5,13-14H,6-11H2

InChIKey

DMFZRWNYDMLYHA-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 245.14159 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.14887	153.5
[M+Na]+	268.13081	156.0
[M-H]-	244.13431	151.3
[M+NH4]+	263.17541	173.3
[M+K]+	284.10475	153.1
[M+H-H2O]+	228.13885	146.1
[M+HCOO]-	290.13979	163.4
[M+CH3COO]-	304.15544	162.5
[M+Na-2H]-	266.11626	163.1
[M]+	245.14104	154.0
[M]-	245.14214	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe